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MedKoo Cat#: 527885 | Name: LEQ-506 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

LEQ506, also known as NPV-LEQ506, is an orally bioavailable small-molecule Smoothened (Smo) antagonist with potential antineoplastic activity. Smoothened antagonist LEQ506 selectively binds to the Hedgehog (Hh)-ligand cell surface receptor Smo, which may result in the suppression of the Hh signaling pathway, thereby inhibiting tumor cell growth.

Chemical Structure

LEQ-506 HCl
LEQ-506 HCl
CAS#Unknown (HCl)

Theoretical Analysis

MedKoo Cat#: 527885

Name: LEQ-506 HCl

CAS#: Unknown (HCl)

Chemical Formula: C27H31Cl2N5O

Exact Mass: 439.2372

Molecular Weight: 512.48

Elemental Analysis: C, 63.28; H, 6.10; Cl, 13.83; N, 13.67; O, 3.12

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1057677-92-5 (free base)
Synonym
LEQ-506 HCl; LEQ-506 dihychloride; LEQ506; LEQ-506; LEQ 506; NPVLEQ 506; NPVLEQ-506; NPV LEQ506; NPVLEQ506.
IUPAC/Chemical Name
2-[6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propan-2-ol dihydrochloride
InChi Key
ZKWANUULEKDOSB-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H29N5O.2ClH/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20;;/h3-13,19,33H,14-18H2,1-2H3;2*1H
SMILES Code
CC(O)(C1=CC=C(N2CCN(C3=NN=C(CC4=CC=CC=C4)C5=C3C=CC=C5)CC2)N=C1)C.[H]Cl.[H]Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
The Hh signaling pathway plays an important role in cellular growth, differentiation, and repair. Dysregulated activation of Hh pathway signaling and uncontrolled cellular proliferation, as is observed in a variety of cancers, may be associated with mutations in the Hh-ligand cell surface receptor Smo.

Preparing Stock Solutions

The following data is based on the product molecular weight 512.48 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Tu J, Li JJ, Song LT, Zhai HL, Wang J, Zhang XY. Molecular modeling study on resistance of WT/D473H SMO to antagonists LDE-225 and LEQ-506. Pharmacol Res. 2018 Mar;129:491-499. doi: 10.1016/j.phrs.2017.11.025. Epub 2017 Nov 21. PubMed PMID: 29175550. 2: Lauressergues E, Heusler P, Lestienne F, Troulier D, Rauly-Lestienne I, Tourette A, Ailhaud MC, Cathala C, Tardif S, Denais-Laliève D, Calmettes MT, Degryse AD, Dumoulin A, De Vries L, Cussac D. Pharmacological evaluation of a series of smoothened antagonists in signaling pathways and after topical application in a depilated mouse model. Pharmacol Res Perspect. 2016 Mar 4;4(2):e00214. doi: 10.1002/prp2.214. eCollection 2016 Apr. PubMed PMID: 27069629; PubMed Central PMCID: PMC4804317.